6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid

C106H102F3N25O21 — CID 159245512

IUPAC6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)c1nc2oc(C(=O)O)nc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)nc2nc1-c1ccc2c(c1)OCO2.CC(C)N(C)c1nc2oc(C(=O)O)nc2nc1C1CCCCC1.CN(c1cccnc1)c1nc2oc(C(=O)O)nc2nc1-c1ccc(F)cc1.CN(c1nc2oc(C(=O)O)nc2nc1-c1ccc(F)cc1)C1CCCCC1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1
InChIInChI=1S/C19H19FN4O3.C18H12FN5O3.C18H17FN4O3.C18H16N4O4.C17H16N4O5.C16H22N4O3/c1-24(13-5-3-2-4-6-13)16-14(11-7-9-12(20)10-8-11)21-15-17(23-16)27-18(22-15)19(25)26;1-24(12-3-2-8-20-9-12)15-13(10-4-6-11(19)7-5-10)21-14-16(23-15)27-17(22-14)18(25)26;19-12-7-5-11(6-8-12)13-15(23-9-3-1-2-4-10-23)22-16-14(20-13)21-17(26-16)18(24)25;1-9(2)22(3)15-13(12-8-10-6-4-5-7-11(10)25-12)19-14-16(21-15)26-17(20-14)18(23)24;1-8(2)21(3)14-12(9-4-5-10-11(6-9)25-7-24-10)18-13-15(20-14)26-16(19-13)17(22)23;1-9(2)20(3)13-11(10-7-5-4-6-8-10)17-12-14(19-13)23-15(18-12)16(21)22/h7-10,13H,2-6H2,1H3,(H,25,26);2-9H,1H3,(H,25,26);5-8H,1-4,9-10H2,(H,24,25);4-9H,1-3H3,(H,23,24);4-6,8H,7H2,1-3H3,(H,22,23);9-10H,4-8H2,1-3H3,(H,21,22)
InChIKeyKUQAMSLHZZMXII-UHFFFAOYSA-N
MW2119.13 g/mol
LogP20.02
Rot. Bonds23

About 6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid

6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid (PubChem CID 159245512) has the molecular formula C106H102F3N25O21 and a molecular weight of 2119.13 g/mol. Its IUPAC name is 6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid
PubChem CID159245512
Molecular FormulaC106H102F3N25O21
Molecular Weight2119.13 g/mol
Exact Mass2117.76
IUPAC Name6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)c1nc2oc(C(=O)O)nc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)nc2nc1-c1ccc2c(c1)OCO2.CC(C)N(C)c1nc2oc(C(=O)O)nc2nc1C1CCCCC1.CN(c1cccnc1)c1nc2oc(C(=O)O)nc2nc1-c1ccc(F)cc1.CN(c1nc2oc(C(=O)O)nc2nc1-c1ccc(F)cc1)C1CCCCC1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1
InChIInChI=1S/C19H19FN4O3.C18H12FN5O3.C18H17FN4O3.C18H16N4O4.C17H16N4O5.C16H22N4O3/c1-24(13-5-3-2-4-6-13)16-14(11-7-9-12(20)10-8-11)21-15-17(23-16)27-18(22-15)19(25)26;1-24(12-3-2-8-20-9-12)15-13(10-4-6-11(19)7-5-10)21-14-16(23-15)27-17(22-14)18(25)26;19-12-7-5-11(6-8-12)13-15(23-9-3-1-2-4-10-23)22-16-14(20-13)21-17(26-16)18(24)25;1-9(2)22(3)15-13(12-8-10-6-4-5-7-11(10)25-12)19-14-16(21-15)26-17(20-14)18(23)24;1-8(2)21(3)14-12(9-4-5-10-11(6-9)25-7-24-10)18-13-15(20-14)26-16(19-13)17(22)23;1-9(2)20(3)13-11(10-7-5-4-6-8-10)17-12-14(19-13)23-15(18-12)16(21)22/h7-10,13H,2-6H2,1H3,(H,25,26);2-9H,1H3,(H,25,26);5-8H,1-4,9-10H2,(H,24,25);4-9H,1-3H3,(H,23,24);4-6,8H,7H2,1-3H3,(H,22,23);9-10H,4-8H2,1-3H3,(H,21,22)
InChIKeyKUQAMSLHZZMXII-UHFFFAOYSA-N
XLogP20.02
TPSA598.59 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds23
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002119.13
LogP ≤ 520.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Analyze 6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane
CID 158008204
2-(1,3-benzoxazol-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;2-(1,3-benzoxazol-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;2-(1,3-benzoxazol-2-yl)-3-piperidin-1-ylquinoxaline-6-carboxylic acid;3-(diethylamino)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)quinoxaline-6-carboxylic acid
CID 160619480
3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid
CID 157132229
3-(Azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 157258420
2-Aminopyridine-3-carbaldehyde;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-oxopentyl)-1,3-oxazol-2-yl]propanoate;tert-butyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoate;3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid
CID 157310727
2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-cyclopentyl-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid
CID 157973764
2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine
CID 158099367
2-(5-Fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-piperidin-1-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 158248214
2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid
CID 158393559
2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 158633844
2-(1,3-Benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 158758765
4-Methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline
CID 158887210

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid?
The IUPAC name of 6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid (CID 159245512) is 6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid is CC(C)N(C)c1nc2oc(C(=O)O)nc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)nc2nc1-c1ccc2c(c1)OCO2.CC(C)N(C)c1nc2oc(C(=O)O)nc2nc1C1CCCCC1.CN(c1cccnc1)c1nc2oc(C(=O)O)nc2nc1-c1ccc(F)cc1.CN(c1nc2oc(C(=O)O)nc2nc1-c1ccc(F)cc1)C1CCCCC1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1.
What is the InChIKey of 6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid?
The InChIKey is KUQAMSLHZZMXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3.C18H12FN5O3.C18H17FN4O3.C18H16N4O4.C17H16N4O5.C16H22N4O3/c1-24(13-5-3-2-4-6-13)16-14(11-7-9-12(20)10-8-11)21-15-17(23-16)27-18(22-15)19(25)26;1-24(12-3-2-8-20-9-12)15-13(10-4-6-11(19)7-5-10)21-14-16(23-15)27-17(22-14)18(25)26;19-12-7-5-11(6-8-12)13-15(23-9-3-1-2-4-10-23)22-16-14(20-13)21-17(26-16)18(24)25;1-9(2)22(3)15-13(12-8-10-6-4-5-7-11(10)25-12)19-14-16(21-15)26-17(20-14)18(23)24;1-8(2)21(3)14-12(9-4-5-10-11(6-9)25-7-24-10)18-13-15(20-14)26-16(19-13)17(22)23;1-9(2)20(3)13-11(10-7-5-4-6-8-10)17-12-14(19-13)23-15(18-12)16(21)22/h7-10,13H,2-6H2,1H3,(H,25,26);2-9H,1H3,(H,25,26);5-8H,1-4,9-10H2,(H,24,25);4-9H,1-3H3,(H,23,24);4-6,8H,7H2,1-3H3,(H,22,23);9-10H,4-8H2,1-3H3,(H,21,22).
What are the key properties of 6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid?
6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid has a molecular weight of 2119.13 g/mol, XLogP of 20.02, 23 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid is sourced from PubChem (CID 159245512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).